1-[(E)-prop-1-enyl]-2H-pyridine

C8H11N — CID 87090241

IUPAC1-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/N1C=CC=CC1
InChIInChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-7H,8H2,1H3/b6-2+
InChIKeyQNIINJSIHZISAD-QHHAFSJGSA-N
MW121.18 g/mol
LogP1.91
Rot. Bonds1

About 1-[(E)-prop-1-enyl]-2H-pyridine

1-[(E)-prop-1-enyl]-2H-pyridine (PubChem CID 87090241) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-2H-pyridine
PubChem CID87090241
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-[(E)-prop-1-enyl]-2H-pyridine
SMILESC/C=C/N1C=CC=CC1
InChIInChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-7H,8H2,1H3/b6-2+
InChIKeyQNIINJSIHZISAD-QHHAFSJGSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylbenzenesulfonic acid;1-prop-1-enyl-2H-pyridine
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1-ethenyl-3-prop-1-enyl-2H-imidazole
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1-tert-butyl-2H-pyridine
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1-ethylsulfonyl-2H-pyridine
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2H-pyridin-1-yl methanesulfonate
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1-methyl-2,7-dihydroazepine
CID 89372779
2H-pyridin-1-yl formate
CID 142894547
cyclopenta-1,3-diene;prop-1-ene
CID 21266721
1,9-dihydropyrazolo[1,2-a]diazepine
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1-ethyl-2H-pyridine;methanesulfonic acid
CID 172835335

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-2H-pyridine?
The IUPAC name of 1-[(E)-prop-1-enyl]-2H-pyridine (CID 87090241) is 1-[(E)-prop-1-enyl]-2H-pyridine.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-2H-pyridine?
The canonical SMILES for 1-[(E)-prop-1-enyl]-2H-pyridine is C/C=C/N1C=CC=CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-2H-pyridine?
The InChIKey is QNIINJSIHZISAD-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H11N/c1-2-6-9-7-4-3-5-8-9/h2-7H,8H2,1H3/b6-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-2H-pyridine?
1-[(E)-prop-1-enyl]-2H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-2H-pyridine is sourced from PubChem (CID 87090241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).